6-chloranyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-1H-quinazolin-4-one Formula: C22H21ClN6O2S MolecularWeight: 468.95914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C22H21ClN6O2S/c23-16-6-7-18-17(12-16)20(30)25-19(24-18)14-32-22-27-26-21(28-8-10-31-11-9-28)29(22)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,24,25,30)